General Information of the Compound
| Compound ID |
CP0417587
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| Compound Name |
4-N-(3-ethynylphenyl)-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H18N6
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| Molecular Weight |
354.417
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| Canonical SMILES |
Nc1nc(Nc2cccc(c2)C#C)c2cc(CCc3ccccn3)[nH]c2n1
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| InChI |
InChI=1S/C21H18N6/c1-2-14-6-5-8-16(12-14)24-19-18-13-17(25-20(18)27-21(22)26-19)10-9-15-7-3-4-11-23-15/h1,3-8,11-13H,9-10H2,(H4,22,24,25,26,27)
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| InChIKey |
ZTFKHKPWTHOZSC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound